Compound Detail
CHEMBL406652
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Basic Information
| ChEMBL ID | CHEMBL406652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLUDUXWVPIEHDA-UHFFFAOYSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
5.20
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.21
IC50 2 meas. best 6.26
Ki 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 6.26 | 6.26 | 550.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.21 | 5.21 | 6238.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.07 | 4.94 | 8505.0 | 2 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubate... | 22339127 |
| Serine/threonine-protein kinase pim-1 | Ki | = | 550.0 | nM | 6.26 | Inhibition of Pim1 kinase | 18290603 |
| Streptococcus sp. 'group A' | EC50 | = | 6238.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 8505.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 15572.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Envelope glycoprotein gp160 | IC50 | = | 16800.0 | nM | 4.78 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
| 18290603 | 10.1021/jm701248t | Serine/threonine-protein kinase pim-1 | 1 |
| 22339127 | 10.1021/jm2014698 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine